ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one

C25H34N8O4 — CID 170755884

IUPACethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one
SMILESCC.CC(c1nc(C2CN(C(=O)c3c[nH]c(=O)cn3)CC23CNC3)no1)n1ccc(C2CCOCC2)n1
InChIInChI=1S/C23H28N8O4.C2H6/c1-14(31-5-2-17(28-31)15-3-6-34-7-4-15)21-27-20(29-35-21)16-10-30(13-23(16)11-24-12-23)22(33)18-8-26-19(32)9-25-18;1-2/h2,5,8-9,14-16,24H,3-4,6-7,10-13H2,1H3,(H,26,32);1-2H3
InChIKeyQLCMMDPZQDXXDV-UHFFFAOYSA-N
MW510.60 g/mol
LogP1.71
Rot. Bonds5

About ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one

ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one (PubChem CID 170755884) has the molecular formula C25H34N8O4 and a molecular weight of 510.60 g/mol. Its IUPAC name is ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Nameethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one
PubChem CID170755884
Molecular FormulaC25H34N8O4
Molecular Weight510.60 g/mol
Exact Mass510.27
IUPAC Nameethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one
SMILESCC.CC(c1nc(C2CN(C(=O)c3c[nH]c(=O)cn3)CC23CNC3)no1)n1ccc(C2CCOCC2)n1
InChIInChI=1S/C23H28N8O4.C2H6/c1-14(31-5-2-17(28-31)15-3-6-34-7-4-15)21-27-20(29-35-21)16-10-30(13-23(16)11-24-12-23)22(33)18-8-26-19(32)9-25-18;1-2/h2,5,8-9,14-16,24H,3-4,6-7,10-13H2,1H3,(H,26,32);1-2H3
InChIKeyQLCMMDPZQDXXDV-UHFFFAOYSA-N
XLogP1.71
TPSA144.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one (CID 170755884) is ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one is CC.CC(c1nc(C2CN(C(=O)c3c[nH]c(=O)cn3)CC23CNC3)no1)n1ccc(C2CCOCC2)n1.
What is the InChIKey of ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one?
The InChIKey is QLCMMDPZQDXXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O4.C2H6/c1-14(31-5-2-17(28-31)15-3-6-34-7-4-15)21-27-20(29-35-21)16-10-30(13-23(16)11-24-12-23)22(33)18-8-26-19(32)9-25-18;1-2/h2,5,8-9,14-16,24H,3-4,6-7,10-13H2,1H3,(H,26,32);1-2H3.
What are the key properties of ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one?
ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one has a molecular weight of 510.60 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 170755884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).